Hello Hai,
Okey, a typo again. But changing it to
leaprc.protein.ff14SB
doesn't solve the problem unfortunatelly. (I think this leaprc is not
necessary for lipid only simulation.).
Thank you for your comment.
Balazs
Idézet (Nhai <nhai.qn.gmail.com>):
> You leap input: Where do you get the leaprc.ff14SB?
> There should be something else if you are using ambertools16 (saw
> your amber16 folder)
>
> Hai
>
>> On Nov 14, 2016, at 11:41 AM, jojartb.jgypk.u-szeged.hu wrote:
>>
>> Dear David,
>> here I send you the pdb file and the tleap file.
>> If you need the original ones, you can find it attached to my first
>> email. I attached the leap.log file as well.
>> Thank you for your help in advance.
>> Best regads, Balazs
>>
>>
>> Idézet (David A Case <david.case.rutgers.edu>):
>>
>>>> On Mon, Nov 14, 2016, jojartb.jgypk.u-szeged.hu wrote:
>>>>
>>>> In my first email i wrote, that I did not find any inconsistency
>>>> between the naming scheme in the pdb file and in lipid14.lib file.
>>>
>>> Can you post a small part of your input pdb file (containing residue 1)?
>>> Plus the exact (minimal) tleap commands you used? You have
>>> convinced yourself
>>> that there is no inconsistency in naming schemes, but you have not yet
>>> convinced the tleap program of this.
>>>
>>> ....dac
>>>
>>>
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>>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>> <dlpc.tleap.in>
>> <lipid.pdb>
>> <leap.zip>
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>
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Received on Mon Nov 14 2016 - 09:30:02 PST
